[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone

C20H27N5O — CID 109319315

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(C)nc(NC(C)C)n3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-14(2)21-20-22-16(4)13-18(23-20)19(26)25-10-8-24(9-11-25)17-7-5-6-15(3)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,21,22,23)
InChIKeyHTULSZXILHBOLW-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.88
Rot. Bonds4

About [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone

[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone (PubChem CID 109319315) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
PubChem CID109319315
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(C)nc(NC(C)C)n3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-14(2)21-20-22-16(4)13-18(23-20)19(26)25-10-8-24(9-11-25)17-7-5-6-15(3)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,21,22,23)
InChIKeyHTULSZXILHBOLW-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109320855
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318924
[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109321239
[4-(2-fluorophenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319319
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319316
[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109320858
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109332044
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321969
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109319693
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331558
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone (CID 109319315) is [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cc(C)nc(NC(C)C)n3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone?
The InChIKey is HTULSZXILHBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14(2)21-20-22-16(4)13-18(23-20)19(26)25-10-8-24(9-11-25)17-7-5-6-15(3)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,21,22,23).
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109319315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).